(2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide

C20H26N4O4 — CID 92632863

IUPAC(2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
SMILESCCn1nccc1C(=O)N1CCO[C@H](C(=O)NCCc2ccccc2OC)C1
InChIInChI=1S/C20H26N4O4/c1-3-24-16(9-11-22-24)20(26)23-12-13-28-18(14-23)19(25)21-10-8-15-6-4-5-7-17(15)27-2/h4-7,9,11,18H,3,8,10,12-14H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyMDLNBIZJDXQZKR-SFHVURJKSA-N
MW386.45 g/mol
LogP1.11
Rot. Bonds7

About (2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide

(2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide (PubChem CID 92632863) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is (2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
PubChem CID92632863
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name(2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
SMILESCCn1nccc1C(=O)N1CCO[C@H](C(=O)NCCc2ccccc2OC)C1
InChIInChI=1S/C20H26N4O4/c1-3-24-16(9-11-22-24)20(26)23-12-13-28-18(14-23)19(25)21-10-8-15-6-4-5-7-17(15)27-2/h4-7,9,11,18H,3,8,10,12-14H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyMDLNBIZJDXQZKR-SFHVURJKSA-N
XLogP1.11
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 95851733
[(2R)-4-(2-ethylpyrazole-3-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 92632860
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055335
(2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 124945908
3-methoxy-4-[2-[(4-methylmorpholine-2-carbonyl)amino]ethyl]benzoic acid
CID 138029125
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 52907474
(2R)-4-(2-methylfuran-3-carbonyl)-N-(2-pyridin-2-ylethyl)morpholine-2-carboxamide
CID 95869619
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
(2S)-4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholine-2-carboxylic acid
CID 125150978

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide (CID 92632863) is (2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide is CCn1nccc1C(=O)N1CCO[C@H](C(=O)NCCc2ccccc2OC)C1.
What is the InChIKey of (2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The InChIKey is MDLNBIZJDXQZKR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-3-24-16(9-11-22-24)20(26)23-12-13-28-18(14-23)19(25)21-10-8-15-6-4-5-7-17(15)27-2/h4-7,9,11,18H,3,8,10,12-14H2,1-2H3,(H,21,25)/t18-/m0/s1.
What are the key properties of (2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide?
(2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-ethylpyrazole-3-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 92632863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).